1688-0043 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-iodobenzamide

1688-0043 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-iodobenzamide
1688-0043 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-iodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1688-0043
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-iodobenzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1688-0043

Molecular Formula

C20H12ClIN2O2 (C20 H12 ClIN2 O2)

Compound Name

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-chloro-5-iodobenzamide

IUPAC name

N-[4-(13-benzoxazol-2-yl)phenyl]-2-chloro-5-iodobenzamide

SMILES

O=C(c(cc(cc1)I)c1Cl)Nc(cc1)ccc1-c1nc(cccc2)c2o1

InChI

InChI=1S/C20H12ClIN2O2/c21-16-10-7-13(22)11-15(16)19(25)23-14-8-5-12(6-9-14)20-24-17-3-1-2-4-18(17)26-20/h1-11H,(H,23,25)

InChI Key

JNTPRZRIPMDJKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01040350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.676

Distribution Coefficient, logD

6.675

Water Solubility, LogSw

-6.50

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1688-0043 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1688-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1688-0043?
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What is the minimum amount of 1688-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1688-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1688-0043
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1688-0043 available by request